3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid

C9H16N2O3 — CID 65219873

IUPAC3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid
SMILESCC(C)C(CN1CCNC1=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)5-11-4-3-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyDHRKAGBGESZEAC-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.37
Rot. Bonds4

About 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid

3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid (PubChem CID 65219873) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid
PubChem CID65219873
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid
SMILESCC(C)C(CN1CCNC1=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)5-11-4-3-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyDHRKAGBGESZEAC-UHFFFAOYSA-N
XLogP0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid (CID 65219873) is 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid is CC(C)C(CN1CCNC1=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid?
The InChIKey is DHRKAGBGESZEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)5-11-4-3-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid?
3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxoimidazolidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 65219873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).